3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine

C8H7BrClF2N — CID 130069239

IUPAC3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
SMILESCc1c(CCl)cnc(C(F)F)c1Br
InChIInChI=1S/C8H7BrClF2N/c1-4-5(2-10)3-13-7(6(4)9)8(11)12/h3,8H,2H2,1H3
InChIKeyUJGBZQHEYYFKRD-UHFFFAOYSA-N
MW270.50 g/mol
LogP3.83
Rot. Bonds2

About 3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine

3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine (PubChem CID 130069239) has the molecular formula C8H7BrClF2N and a molecular weight of 270.50 g/mol. Its IUPAC name is 3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
PubChem CID130069239
Molecular FormulaC8H7BrClF2N
Molecular Weight270.50 g/mol
Exact Mass268.94
IUPAC Name3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
SMILESCc1c(CCl)cnc(C(F)F)c1Br
InChIInChI=1S/C8H7BrClF2N/c1-4-5(2-10)3-13-7(6(4)9)8(11)12/h3,8H,2H2,1H3
InChIKeyUJGBZQHEYYFKRD-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130110275
5-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069547
3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130108110
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
2-[4-bromo-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070567
5-(bromomethyl)-2-(difluoromethyl)-3,4-dimethylpyridine
CID 130101296
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine
CID 130106398
5-(chloromethyl)-4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidine
CID 114205496
5-(aminomethyl)-2-(difluoromethyl)-4-methylpyridin-3-amine
CID 130106302
3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073182
3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 130070510

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine?
The IUPAC name of 3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine (CID 130069239) is 3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine.
What is the SMILES notation for 3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine?
The canonical SMILES for 3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine is Cc1c(CCl)cnc(C(F)F)c1Br.
What is the InChIKey of 3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine?
The InChIKey is UJGBZQHEYYFKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2N/c1-4-5(2-10)3-13-7(6(4)9)8(11)12/h3,8H,2H2,1H3.
What are the key properties of 3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine?
3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine has a molecular weight of 270.50 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine is sourced from PubChem (CID 130069239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).